SCHEMBL11809474

SCHEMBL11809474

Nc1cc(O)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
ALOX15 P16050 2/20 0.59
MAPK1 P28482 2/20 0.59
HSD17B10 Q99714 1/20 0.59
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 2/20 0.55
TDP1 Q9NUW8 4/20 0.52
MAPT P10636 3/20 0.52
TSHR P16473 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 2/20 0.52
GPR35 Q9HC97 3/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10930822 0.93 ALDH1A1 (0.58) L3MBTL1ALOX15MAPK1HSD17B10ALDH1A1
SCHEMBL70180 0.85 GPR35 (0.58) L3MBTL1ALOX15MAPK1HSD17B10ALDH1A1
SCHEMBL15723570 0.84 ALDH1A1 (0.63) L3MBTL1ALOX15MAPK1HSD17B10ALDH1A1
SCHEMBL30892482 0.84 ALDH1A1 (0.63) L3MBTL1ALOX15MAPK1HSD17B10ALDH1A1
SCHEMBL17066416 0.84 ALDH1A1 (0.49) L3MBTL1ALOX15MAPK1HSD17B10ALDH1A1
SCHEMBL5718554 0.84 TSHR (0.52) L3MBTL1ALOX15MAPK1HSD17B10ALDH1A1
SCHEMBL11649965 0.84 ALDH1A1 (0.62) L3MBTL1ALOX15MAPK1HSD17B10ALDH1A1
SCHEMBL12021950 0.84 MAPK1 (0.52) L3MBTL1ALOX15MAPK1HSD17B10ALDH1A1
SCHEMBL30427268 0.83 GPR35 (0.56) L3MBTL1ALOX15MAPK1HSD17B10ALDH1A1
SCHEMBL227018 0.83 GPR35 (0.56) L3MBTL1ALOX15MAPK1HSD17B10ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3941839-A HERBICIDE CIBA-GEIGY AG (CH) 1976-03-02 US disclosed
US-3941832-A Oxime ethers and pesticidal preparations containing them CIBA-GEIGY AG (CH) 1976-03-02 US disclosed